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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 4U0W | Kd = 1 mM | 16G | C8 H16 N O9 P | CC(=O)N[C@.... |
2 | 4U0V | - | GLP | C6 H14 N O8 P | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 4U0W | Kd = 1 mM | 16G | C8 H16 N O9 P | CC(=O)N[C@.... |
2 | 4U0V | - | GLP | C6 H14 N O8 P | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4R1 | 1 | 1 |
2 | GLP | 1 | 1 |
3 | RP5 | 0.634146 | 0.755102 |
4 | HSX | 0.634146 | 0.755102 |
5 | ABF | 0.634146 | 0.755102 |
6 | GRF | 0.604651 | 0.846154 |
7 | A6P | 0.590909 | 0.829787 |
8 | BGP | 0.590909 | 0.829787 |
9 | M6D | 0.590909 | 0.829787 |
10 | G6P | 0.590909 | 0.829787 |
11 | M6P | 0.590909 | 0.829787 |
12 | BG6 | 0.590909 | 0.829787 |
13 | AHG | 0.560976 | 0.673077 |
14 | 3LJ | 0.541667 | 0.77193 |
15 | RF5 | 0.521739 | 0.679245 |
16 | 50A | 0.521739 | 0.679245 |
17 | BMX | 0.509434 | 0.867925 |
18 | 4QY | 0.509434 | 0.867925 |
19 | 16G | 0.509434 | 0.867925 |
20 | NNG | 0.490566 | 0.867925 |
21 | PA1 | 0.488372 | 0.729167 |
22 | X6X | 0.488372 | 0.729167 |
23 | 1GN | 0.488372 | 0.729167 |
24 | 95Z | 0.488372 | 0.729167 |
25 | GCS | 0.488372 | 0.729167 |
26 | FDQ | 0.469388 | 0.660377 |
27 | RI2 | 0.46 | 0.72 |
28 | G16 | 0.433962 | 0.795918 |
29 | D6G | 0.431373 | 0.795918 |
30 | TEC | 0.412698 | 0.62069 |
31 | PRP | 0.410714 | 0.74 |
32 | PPC | 0.410714 | 0.698113 |
33 | N | 0.408163 | 0.660377 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1QV | 0.9644 |
2 | PLR | 0.9641 |
3 | QIF | 0.9631 |
4 | PLP | 0.9545 |
5 | PXP | 0.9505 |
6 | PLP PMP | 0.9504 |
7 | PZP | 0.9504 |
8 | PMP | 0.9504 |
9 | NPL | 0.9501 |
10 | F6P | 0.9456 |
11 | 6HP | 0.9407 |
12 | MP5 | 0.9402 |
13 | N2M | 0.9325 |
14 | X04 | 0.9317 |
15 | F1P | 0.9264 |
16 | IPD | 0.9212 |
17 | LIP | 0.9187 |
18 | F5C | 0.9161 |
19 | IOP | 0.9156 |
20 | GT1 | 0.9149 |
21 | TU0 | 0.9138 |
22 | GPM | 0.9136 |
23 | V1T | 0.9123 |
24 | PTS | 0.9122 |
25 | DHC | 0.9119 |
26 | P0P | 0.9111 |
27 | FER | 0.9100 |
28 | TA6 | 0.9089 |
29 | KLV | 0.9089 |
30 | 5OO | 0.9086 |
31 | GJK | 0.9084 |
32 | M1P | 0.9066 |
33 | F1X | 0.9065 |
34 | 5WN | 0.9064 |
35 | IL5 | 0.9061 |
36 | YF3 | 0.9050 |
37 | ALX | 0.9050 |
38 | JP2 | 0.9049 |
39 | A5P | 0.9046 |
40 | SG2 | 0.9043 |
41 | QMS | 0.9040 |
42 | SYE | 0.9034 |
43 | 68A | 0.9024 |
44 | ZEC | 0.9019 |
45 | NAG | 0.9009 |
46 | 8MP | 0.9008 |
47 | JVA | 0.9007 |
48 | F6R | 0.8996 |
49 | JV4 | 0.8996 |
50 | L21 | 0.8992 |
51 | GI4 | 0.8989 |
52 | AMR | 0.8988 |
53 | M7P | 0.8986 |
54 | KTW | 0.8982 |
55 | G1P | 0.8977 |
56 | XCG | 0.8975 |
57 | STT | 0.8972 |
58 | HC4 | 0.8969 |
59 | 5WS | 0.8967 |
60 | ALE | 0.8962 |
61 | 4FE | 0.8961 |
62 | 1BW | 0.8957 |
63 | LOT | 0.8954 |
64 | 2GQ | 0.8951 |
65 | RGG | 0.8951 |
66 | IOS | 0.8947 |
67 | APS | 0.8945 |
68 | STV | 0.8944 |
69 | X1P | 0.8943 |
70 | GFP | 0.8939 |
71 | 6J5 | 0.8933 |
72 | CHQ | 0.8933 |
73 | ARP | 0.8933 |
74 | 9BF | 0.8933 |
75 | I2E | 0.8932 |
76 | MXD | 0.8931 |
77 | ZHA | 0.8928 |
78 | ZIP | 0.8926 |
79 | GI3 | 0.8919 |
80 | P7Y | 0.8914 |
81 | 2CZ | 0.8912 |
82 | HHS | 0.8910 |
83 | MTS | 0.8908 |
84 | TRP | 0.8902 |
85 | TMG | 0.8899 |
86 | HBI | 0.8898 |
87 | 57O | 0.8897 |
88 | 5WM | 0.8896 |
89 | 8U3 | 0.8896 |
90 | HBO | 0.8894 |
91 | EVF | 0.8894 |
92 | CTE | 0.8894 |
93 | XYP XIF | 0.8891 |
94 | GI1 | 0.8888 |
95 | XIF XYP | 0.8887 |
96 | AGP | 0.8885 |
97 | 4WF | 0.8884 |
98 | ZRK | 0.8883 |
99 | B4O | 0.8883 |
100 | H35 | 0.8883 |
101 | P81 | 0.8882 |
102 | FF2 | 0.8882 |
103 | QIV | 0.8874 |
104 | 2HC | 0.8871 |
105 | CFA | 0.8869 |
106 | F52 | 0.8868 |
107 | 790 | 0.8868 |
108 | J5B | 0.8867 |
109 | N7I | 0.8867 |
110 | MUX | 0.8866 |
111 | EYV | 0.8866 |
112 | KYN | 0.8864 |
113 | 61M | 0.8863 |
114 | EXD | 0.8863 |
115 | GXG | 0.8861 |
116 | EUH | 0.8860 |
117 | 3IL | 0.8859 |
118 | FPL | 0.8858 |
119 | NTF | 0.8858 |
120 | EBQ | 0.8857 |
121 | B41 | 0.8853 |
122 | GZV | 0.8853 |
123 | X0T | 0.8853 |
124 | NBV | 0.8853 |
125 | 3Y7 | 0.8852 |
126 | NPA | 0.8850 |
127 | BGN | 0.8850 |
128 | 363 | 0.8849 |
129 | 8NX | 0.8848 |
130 | 0SY | 0.8848 |
131 | NQH | 0.8845 |
132 | DBS | 0.8845 |
133 | 2FX | 0.8844 |
134 | ZYQ | 0.8844 |
135 | NDG | 0.8843 |
136 | 4OG | 0.8840 |
137 | YTX | 0.8840 |
138 | C0W | 0.8838 |
139 | 1VQ | 0.8838 |
140 | 2LT | 0.8837 |
141 | I4D | 0.8836 |
142 | K25 | 0.8832 |
143 | 9F8 | 0.8831 |
144 | DG2 | 0.8830 |
145 | MMS | 0.8830 |
146 | MD6 | 0.8828 |
147 | 96Z | 0.8827 |
148 | MJ5 | 0.8827 |
149 | EUE | 0.8826 |
150 | CIY | 0.8824 |
151 | NHT | 0.8823 |
152 | LTN | 0.8823 |
153 | GO8 | 0.8822 |
154 | M3Q | 0.8818 |
155 | 2K8 | 0.8818 |
156 | P80 | 0.8817 |
157 | TB8 | 0.8817 |
158 | 3ZB | 0.8816 |
159 | MQG | 0.8815 |
160 | 5GT | 0.8815 |
161 | NOK | 0.8814 |
162 | DTR | 0.8813 |
163 | BIO | 0.8811 |
164 | GO2 | 0.8810 |
165 | DAH | 0.8806 |
166 | CH8 | 0.8806 |
167 | RP3 | 0.8805 |
168 | MFZ | 0.8804 |
169 | MBP | 0.8803 |
170 | YOF | 0.8802 |
171 | GC2 | 0.8802 |
172 | IAC | 0.8801 |
173 | QBM | 0.8798 |
174 | 6ZW | 0.8795 |
175 | CR1 | 0.8795 |
176 | EXL | 0.8795 |
177 | AC2 | 0.8794 |
178 | D9Z | 0.8794 |
179 | H4B | 0.8793 |
180 | Y3L | 0.8786 |
181 | 3RI | 0.8786 |
182 | GB4 | 0.8786 |
183 | 657 | 0.8785 |
184 | F34 | 0.8785 |
185 | 51Y | 0.8782 |
186 | 5WT | 0.8782 |
187 | 7AP | 0.8781 |
188 | QH3 | 0.8780 |
189 | 8VR | 0.8779 |
190 | 3VX | 0.8776 |
191 | 6Q3 | 0.8776 |
192 | FWD | 0.8776 |
193 | DTE | 0.8773 |
194 | 4BY | 0.8772 |
195 | MPP | 0.8772 |
196 | ZEZ | 0.8770 |
197 | 4Z9 | 0.8768 |
198 | KF5 | 0.8768 |
199 | EYY | 0.8767 |
200 | F40 | 0.8767 |
201 | OSB | 0.8766 |
202 | EXR | 0.8764 |
203 | 3D8 | 0.8763 |
204 | O2Y | 0.8763 |
205 | EGR | 0.8763 |
206 | ZEA | 0.8762 |
207 | 8W9 | 0.8760 |
208 | M5H | 0.8758 |
209 | TOH | 0.8756 |
210 | P2L | 0.8754 |
211 | SKF | 0.8752 |
212 | R1P | 0.8752 |
213 | OX2 | 0.8751 |
214 | HPT | 0.8748 |
215 | S0G | 0.8747 |
216 | LL1 | 0.8747 |
217 | 6DP | 0.8745 |
218 | BY5 | 0.8744 |
219 | IYR | 0.8742 |
220 | M78 | 0.8742 |
221 | TSR | 0.8741 |
222 | TNX | 0.8740 |
223 | GC3 | 0.8740 |
224 | B61 | 0.8740 |
225 | 56N | 0.8739 |
226 | PYU | 0.8737 |
227 | UQ1 | 0.8736 |
228 | 2KU | 0.8736 |
229 | XFE | 0.8735 |
230 | 5OF | 0.8732 |
231 | QR2 | 0.8731 |
232 | S7G | 0.8729 |
233 | A4V | 0.8728 |
234 | DER | 0.8727 |
235 | KG1 | 0.8726 |
236 | N91 | 0.8724 |
237 | C4E | 0.8724 |
238 | HJB | 0.8721 |
239 | X48 | 0.8721 |
240 | QUB | 0.8720 |
241 | KWB | 0.8720 |
242 | C82 | 0.8719 |
243 | ONZ | 0.8719 |
244 | H2B | 0.8718 |
245 | ZON | 0.8717 |
246 | P4L | 0.8716 |
247 | GDL | 0.8716 |
248 | LSQ | 0.8713 |
249 | CC5 | 0.8713 |
250 | 0FR | 0.8712 |
251 | HPP | 0.8706 |
252 | D1Y | 0.8705 |
253 | JOV | 0.8704 |
254 | K3Q | 0.8703 |
255 | TOM | 0.8701 |
256 | NB1 | 0.8700 |
257 | 7L4 | 0.8697 |
258 | LVD | 0.8697 |
259 | C9E | 0.8696 |
260 | 0OK | 0.8695 |
261 | NIY | 0.8695 |
262 | NLA | 0.8694 |
263 | CLU | 0.8694 |
264 | MAJ | 0.8694 |
265 | TCA | 0.8693 |
266 | BP7 | 0.8693 |
267 | 4AB | 0.8693 |
268 | 3IB | 0.8692 |
269 | SJK | 0.8691 |
270 | CWD | 0.8691 |
271 | PNP | 0.8691 |
272 | 5RP | 0.8690 |
273 | EYJ | 0.8689 |
274 | KP2 | 0.8688 |
275 | DEG | 0.8687 |
276 | 4Z1 | 0.8686 |
277 | F90 | 0.8686 |
278 | WA2 | 0.8685 |
279 | NEU | 0.8684 |
280 | AJD | 0.8683 |
281 | AHC | 0.8683 |
282 | F06 | 0.8682 |
283 | DXK | 0.8681 |
284 | 4NS | 0.8680 |
285 | 4BX | 0.8678 |
286 | HWD | 0.8677 |
287 | S0W | 0.8676 |
288 | 5AD | 0.8675 |
289 | BQ2 | 0.8675 |
290 | PPT | 0.8672 |
291 | NFM | 0.8672 |
292 | 5WU | 0.8671 |
293 | B5A | 0.8671 |
294 | YX1 | 0.8671 |
295 | STZ | 0.8671 |
296 | 22L | 0.8670 |
297 | 4NP | 0.8668 |
298 | 54X | 0.8666 |
299 | B23 | 0.8666 |
300 | HA6 | 0.8665 |
301 | 67Y | 0.8665 |
302 | 833 | 0.8665 |
303 | SXX | 0.8664 |
304 | 5TY | 0.8664 |
305 | TYR | 0.8663 |
306 | FYR | 0.8663 |
307 | 3N1 | 0.8662 |
308 | 1X4 | 0.8661 |
309 | 3SU | 0.8661 |
310 | 9GP | 0.8660 |
311 | BPY | 0.8660 |
312 | JCZ | 0.8659 |
313 | FUZ | 0.8658 |
314 | XQI | 0.8657 |
315 | 5V7 | 0.8655 |
316 | YE7 | 0.8654 |
317 | 55D | 0.8654 |
318 | 3WJ | 0.8653 |
319 | ZIQ | 0.8651 |
320 | 92O | 0.8650 |
321 | 535 | 0.8648 |
322 | NAL | 0.8647 |
323 | PIQ | 0.8647 |
324 | CXH | 0.8645 |
325 | R5P | 0.8645 |
326 | 3D1 | 0.8645 |
327 | 4MB | 0.8645 |
328 | 3GX | 0.8643 |
329 | MUR | 0.8642 |
330 | 3B4 | 0.8640 |
331 | 0UL | 0.8638 |
332 | 5NN | 0.8637 |
333 | CCV | 0.8636 |
334 | 7ZL | 0.8636 |
335 | EV2 | 0.8635 |
336 | ENO | 0.8634 |
337 | EN1 | 0.8633 |
338 | YIP | 0.8632 |
339 | 7EH | 0.8632 |
340 | 0J5 | 0.8631 |
341 | KYA | 0.8630 |
342 | 9B3 | 0.8629 |
343 | LJ4 | 0.8627 |
344 | RSV | 0.8626 |
345 | N1E | 0.8626 |
346 | TZP | 0.8626 |
347 | 5B2 | 0.8624 |
348 | 4CN | 0.8623 |
349 | 5P3 | 0.8623 |
350 | P9E | 0.8622 |
351 | 5E5 | 0.8620 |
352 | ZME | 0.8620 |
353 | AZC | 0.8619 |
354 | DDU | 0.8617 |
355 | NXL | 0.8615 |
356 | 6ZX | 0.8612 |
357 | PW1 | 0.8610 |
358 | CKU | 0.8609 |
359 | GA2 | 0.8609 |
360 | 4TP | 0.8606 |
361 | 6GP | 0.8606 |
362 | H4E | 0.8605 |
363 | HXY | 0.8604 |
364 | 3L1 | 0.8603 |
365 | BWD | 0.8603 |
366 | PVQ | 0.8598 |
367 | 9UL | 0.8598 |
368 | 6J9 | 0.8593 |
369 | 1PS | 0.8592 |
370 | THM | 0.8590 |
371 | CL9 | 0.8590 |
372 | 4I8 | 0.8588 |
373 | RVE | 0.8585 |
374 | GXD | 0.8584 |
375 | 2QU | 0.8582 |
376 | PVK | 0.8582 |
377 | 4GP | 0.8582 |
378 | XRS | 0.8580 |
379 | 9E3 | 0.8579 |
380 | RNK | 0.8579 |
381 | MUK | 0.8578 |
382 | EMZ | 0.8578 |
383 | YIH | 0.8577 |
384 | 327 | 0.8577 |
385 | IS2 | 0.8577 |
386 | EQA | 0.8576 |
387 | B21 | 0.8575 |
388 | ZSP | 0.8574 |
389 | 4XF | 0.8574 |
390 | GZ2 | 0.8574 |
391 | 26E | 0.8572 |
392 | AAN | 0.8572 |
393 | Q0K | 0.8571 |
394 | I59 | 0.8568 |
395 | 7MX | 0.8567 |
396 | 1V3 | 0.8567 |
397 | 848 | 0.8566 |
398 | QME | 0.8566 |
399 | 14W | 0.8560 |
400 | ALN | 0.8559 |
401 | 57D | 0.8557 |
402 | CPW | 0.8554 |
403 | IWD | 0.8553 |
404 | LWS | 0.8553 |
405 | NCV | 0.8549 |
406 | 977 | 0.8547 |
407 | EQW | 0.8545 |
408 | CGW | 0.8542 |
409 | OUB | 0.8542 |
410 | DTY | 0.8540 |
411 | 5SP | 0.8534 |
412 | 5O5 | 0.8530 |
413 | 6DQ | 0.8519 |
414 | GNG | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 4u0w.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4u0w.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |